| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41 | Very low | 61.1 | Low | 221 Ų | 221 | 96.5 Ų | 96.5 | 100% | 1.089 | 50% | 0.497 | S | S | * | . | 0 | 120 | 0 | -177.1 | 178.5 | -74.8 | 0 | 0 | 106.6 | I3 | M1-I3 HydrophobicContact CG-CD1 4.33Å; M1-I3 HydrophobicContact CG-CG1 3.98Å; M1-I3 HydrophobicContact SD-CD1 4.02Å; M1-I3 HydrophobicContact SD-CG1 4.29Å | |||
| 2 | S | 44.3 | Very low | 61.5 | Low | 103 Ų | 103 | 98.9 Ų | 98.9 | 72% | 0.72 | 50% | 0.495 | S | S | * | . | trans | -98.4 | 122.2 | 175.5 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | I | 54.2 | Low | 61.7 | Low | 87 Ų | 87 | 91.8 Ų | 91.8 | 45% | 0.446 | 46% | 0.459 | S | S | . | . | trans | -117.5 | 121.8 | 177.9 | -50.7 | 176 | 0 | 0 | 0 | 106.3 | M1 Y5 | M1-I3 HydrophobicContact CG-CD1 4.33Å; M1-I3 HydrophobicContact CG-CG1 3.98Å; M1-I3 HydrophobicContact SD-CD1 4.02Å; M1-I3 HydrophobicContact SD-CG1 4.29Å; I3-Y5 HydrophobicContact CB-CD2 4.44Å; I3-Y5 HydrophobicContact CB-CE1 4.43Å; I3-Y5 HydrophobicContact CB-CE2 3.67Å; I3-Y5 HydrophobicContact CG2-CD1 4.18Å; I3-Y5 HydrophobicContact CG2-CD2 4.3Å; I3-Y5 HydrophobicContact CG2-CE1 3.51Å; I3-Y5 HydrophobicContact CG2-CE2 3.66Å; I3-Y5 WeakPolarHBondContact CG2-OH 3.41Å; I3-Y5 WeakPolarHBondContact O-CD2 2.98Å; I3-Y5 WeakPolarHBondContact O-CE2 3.21Å | ||
| 4 | H | 60.1 | Low | 62 | Low | 131 Ų | 131 | 90 Ų | 90 | 61% | 0.606 | 45% | 0.451 | S | S | * | . | trans | -95.9 | 129.6 | -174.8 | -161 | 61 | 0 | 0 | 0 | 110.2 | ||||
| 5 | Y | 65.4 | Low | 62 | Low | 54 Ų | 54 | 87.3 Ų | 87.3 | 21% | 0.212 | 44% | 0.442 | C | S | . | . | trans | -127.2 | 85.1 | -172.6 | -58.2 | -73.4 | 0 | 0 | 0 | 110.5 | I3 H7 G8 M9 I50 P52 | I3-Y5 HydrophobicContact CB-CD2 4.44Å; I3-Y5 HydrophobicContact CB-CE1 4.43Å; I3-Y5 HydrophobicContact CB-CE2 3.67Å; I3-Y5 HydrophobicContact CG2-CD1 4.18Å; I3-Y5 HydrophobicContact CG2-CD2 4.3Å; I3-Y5 HydrophobicContact CG2-CE1 3.51Å; I3-Y5 HydrophobicContact CG2-CE2 3.66Å; I3-Y5 WeakPolarHBondContact CG2-OH 3.41Å; I3-Y5 WeakPolarHBondContact O-CD2 2.98Å; I3-Y5 WeakPolarHBondContact O-CE2 3.21Å; Y5-H7 PolarHBondContact O-N 3.32Å; Y5-H7 VanDerWaalsContact O-N 3.07Å; Y5-G8 PolarHBondContact O-N 3.23Å; Y5-M9 VanDerWaalsContact CB-SD 3.59Å; Y5-M9 HydrophobicContact CD2-CE 4.15Å; Y5-M9 HydrophobicContact CD2-CG 4.37Å; Y5-M9 HydrophobicContact CD2-SD 2.95Å; Y5-M9 WeakPolarHBondContact CD2-SD 3.39Å; Y5-M9 HydrophobicContact CE2-CE 4.23Å; Y5-M9 HydrophobicContact CE2-SD 3.52Å; Y5-M9 VanDerWaalsContact CE2-SD 3.52Å; Y5-M9 HydrophobicContact CG-CG 4.4Å; Y5-M9 HydrophobicContact CG-SD 3.45Å; Y5-I50 HydrophobicContact CE2-CG2 4.18Å; Y5-P52 HydrophobicContact CD1-CB 3.51Å; Y5-P52 HydrophobicContact CD1-CG 4.03Å; Y5-P52 HydrophobicContact CE1-CB 3.83Å; Y5-P52 HydrophobicContact CE1-CG 3.82Å; Y5-P52 HydrophobicContact CG-CB 4.47Å | ||
| 6 | P | 66.1 | Low | 61.9 | Low | 96 Ų | 96 | 90 Ų | 90 | 62% | 0.623 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.1 | -166.6 | 23.1 | -33 | 0 | 0 | 0 | 114.7 | ||
| 7 | H | 71.4 | Confident | 61.6 | Low | 82 Ų | 82 | 95.6 Ų | 95.6 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 10.1 | -180 | -53 | -54.6 | 0 | 0 | 0 | 112.8 | Y5 K53 N55 | Y5-H7 PolarHBondContact O-N 3.32Å; Y5-H7 VanDerWaalsContact O-N 3.07Å; H7-K53 HydrophobicContact CB-CB 3.97Å; H7-K53 WeakPolarHBondContact CB-O 3.3Å; H7-K53 WeakPolarHBondContact O-CB 3.4Å; H7-K53 WeakPolarHBondContact O-CD 3.5Å; H7-N55 PolarHBondContact CE1-ND2 3.35Å; H7-N55 PolarHBondContact CE1-OD1 3.07Å; H7-N55 PolarHBondContact ND1-OD1 3.47Å; H7-N55 PolarHBondContact NE2-ND2 3.39Å |
| 8 | G | 68.6 | Low | 61.7 | Low | 29 Ų | 29 | 91.8 Ų | 91.8 | 30% | 0.299 | 46% | 0.459 | S | S | . | . | trans | 75.3 | -170.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y5 K53 | Y5-G8 PolarHBondContact O-N 3.23Å; G8-K53 PolarHBondContact O-N 3.07Å | ||
| 9 | M | 71.1 | Confident | 61.9 | Low | 42 Ų | 42 | 97.8 Ų | 97.8 | 21% | 0.207 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 159.1 | -162.8 | -3.8 | -154.9 | -73.2 | 0 | 0 | 110.1 | Y5 M30 I50 | Y5-M9 VanDerWaalsContact CB-SD 3.59Å; Y5-M9 HydrophobicContact CD2-CE 4.15Å; Y5-M9 HydrophobicContact CD2-CG 4.37Å; Y5-M9 HydrophobicContact CD2-SD 2.95Å; Y5-M9 WeakPolarHBondContact CD2-SD 3.39Å; Y5-M9 HydrophobicContact CE2-CE 4.23Å; Y5-M9 HydrophobicContact CE2-SD 3.52Å; Y5-M9 VanDerWaalsContact CE2-SD 3.52Å; Y5-M9 HydrophobicContact CG-CG 4.4Å; Y5-M9 HydrophobicContact CG-SD 3.45Å; M9-M30 HydrophobicContact CE-CE 2.93Å; M9-M30 HydrophobicContact CE-CG 4.18Å; M9-M30 HydrophobicContact CE-SD 3.26Å; M9-M30 WeakPolarHBondContact CE-SD 3.35Å; M9-I50 HydrophobicContact CB-CG2 4.25Å; M9-I50 HydrophobicContact CE-CG2 3.8Å; M9-I50 HydrophobicContact SD-CG2 4.25Å |
| 10 | R | 67.2 | Low | 62.1 | Low | 185 Ų | 185 | 97.7 Ų | 97.7 | 70% | 0.698 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137 | 164.5 | -87.9 | -177.6 | 167 | 172.7 | -3.6 | 108.7 | I51 | R10-I51 PolarHBondContact N-O 3.18Å; R10-I51 PolarHBondContact O-N 3Å |
| 11 | T | 63 | Low | 62.4 | Low | 31 Ų | 31 | 98 Ų | 98 | 19% | 0.19 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.7 | 175 | 46.2 | 0 | 0 | 0 | 0 | 109.5 | M30 F32 T49 I50 | T11-M30 HydrophobicContact CG2-CE 4.37Å; T11-M30 HydrophobicContact CG2-SD 4.05Å; T11-F32 HydrophobicContact CG2-CE1 3.89Å; T11-F32 HydrophobicContact CG2-CZ 3.79Å; T11-T49 WeakPolarHBondContact CA-O 3.48Å; T11-I50 HydrophobicContact CG2-CG1 4.28Å |
| 12 | R | 65 | Low | 63.6 | Low | 126 Ų | 126 | 90.1 Ų | 90.1 | 48% | 0.475 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135 | 169.6 | -173.6 | -178.3 | -178.7 | -164.2 | -0.4 | 108.6 | E16 T49 | R12-E16 IonicContact CZ-OE1 3.32Å; R12-E16 IonicContact NE-OE1 3.05Å; R12-E16 PolarHBondContact NE-OE1 2.57Å; R12-E16 IonicContact NH2-OE1 2.74Å; R12-E16 PolarHBondContact NH2-OE1 3.07Å; R12-T49 PolarHBondContact N-O 3.05Å; R12-T49 PolarHBondContact O-N 3.04Å |
| 13 | F | 64.8 | Low | 64.5 | Low | 6 Ų | 6 | 91.4 Ų | 91.4 | 3% | 0.026 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137 | 176.1 | -61.8 | -88.2 | 0 | 0 | 0 | 109.3 | P15 E16 Y20 F32 I34 E47 I48 | F13-P15 CarbonylContact O-C 3.54Å; F13-E16 WeakPolarHBondContact O-CA 3.42Å; F13-E16 WeakPolarHBondContact O-CG 3.33Å; F13-E16 PolarHBondContact O-N 3.4Å; F13-Y20 HydrophobicContact CB-CD1 4.5Å; F13-Y20 AromaticContact CD2-CD1 3.48Å; F13-Y20 HydrophobicContact CD2-CD1 3.48Å; F13-Y20 VanDerWaalsContact CD2-CD1 3.48Å; F13-Y20 AromaticContact CD2-CD2 3.96Å; F13-Y20 HydrophobicContact CD2-CD2 3.96Å; F13-Y20 AromaticContact CD2-CE1 3.36Å; F13-Y20 HydrophobicContact CD2-CE1 3.36Å; F13-Y20 AromaticContact CD2-CE2 3.84Å; F13-Y20 HydrophobicContact CD2-CE2 3.84Å; F13-Y20 AromaticContact CD2-CG 3.79Å; F13-Y20 HydrophobicContact CD2-CG 3.79Å; F13-Y20 AromaticContact CD2-CZ 3.55Å; F13-Y20 AromaticContact CE2-CD1 3.92Å; F13-Y20 HydrophobicContact CE2-CD1 3.92Å; F13-Y20 AromaticContact CE2-CD2 3.49Å; F13-Y20 HydrophobicContact CE2-CD2 3.49Å; F13-Y20 VanDerWaalsContact CE2-CD2 3.49Å; F13-Y20 AromaticContact CE2-CE1 3.88Å; F13-Y20 HydrophobicContact CE2-CE1 3.88Å; F13-Y20 AromaticContact CE2-CE2 3.43Å; F13-Y20 HydrophobicContact CE2-CE2 3.43Å; F13-Y20 VanDerWaalsContact CE2-CE2 3.43Å; F13-Y20 AromaticContact CE2-CG 3.74Å; F13-Y20 HydrophobicContact CE2-CG 3.74Å; F13-Y20 AromaticContact CE2-CZ 3.63Å; F13-Y20 HydrophobicContact CG-CD1 4.07Å; F13-Y20 HydrophobicContact CG-CE1 4.26Å; F13-Y20 HydrophobicContact CG-CG 4.44Å; F13-Y20 HydrophobicContact CZ-CD2 4.16Å; F13-Y20 HydrophobicContact CZ-CE2 4.44Å; F13-Y20 HydrophobicContact CZ-CG 4.37Å; F13-F32 AromaticContact CE1-CD1 3.96Å; F13-F32 HydrophobicContact CE1-CD1 3.96Å; F13-F32 HydrophobicContact CE1-CE1 4.29Å; F13-F32 HydrophobicContact CE1-CG 4.18Å; F13-F32 HydrophobicContact CE2-CD1 4.4Å; F13-F32 HydrophobicContact CE2-CE1 4.35Å; F13-F32 AromaticContact CZ-CD1 3.38Å; F13-F32 HydrophobicContact CZ-CD1 3.38Å; F13-F32 AromaticContact CZ-CE1 3.46Å; F13-F32 HydrophobicContact CZ-CE1 3.46Å; F13-F32 VanDerWaalsContact CZ-CE1 3.46Å; F13-F32 HydrophobicContact CZ-CG 4.06Å; F13-F32 HydrophobicContact CZ-CZ 4.17Å; F13-I34 HydrophobicContact CD1-CD1 3.68Å; F13-I34 HydrophobicContact CE1-CD1 3.64Å; F13-E47 WeakPolarHBondContact CA-O 3.41Å; F13-I48 HydrophobicContact CD1-CB 4.45Å; F13-I48 HydrophobicContact CD1-CG1 3.86Å; F13-I48 HydrophobicContact CD1-CG2 4.33Å; F13-I48 HydrophobicContact CE1-CB 4.18Å; F13-I48 HydrophobicContact CE1-CD1 3.94Å; F13-I48 HydrophobicContact CE1-CG1 3.68Å; F13-I48 HydrophobicContact CE1-CG2 3.68Å; F13-I48 HydrophobicContact CZ-CG2 4.13Å |
| 14 | I | 65.7 | Low | 64.9 | Low | 67 Ų | 67 | 94 Ų | 94 | 34% | 0.344 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.1 | 169.9 | -59.6 | -176.8 | 0 | 0 | 0 | 107.9 | E47 | I14-E47 HydrophobicContact CB-CB 4.47Å; I14-E47 PolarHBondContact N-O 3.28Å; I14-E47 VanDerWaalsContact N-O 3.15Å; I14-E47 PolarHBondContact O-N 3.04Å |
| 15 | P | 62 | Low | 65 | Low | 49 Ų | 49 | 92.1 Ų | 92.1 | 32% | 0.318 | 43% | 0.431 | S | S | . | . | S | Bend | cis | -68.6 | 141.4 | -0.8 | 25.8 | -32.4 | 0 | 0 | 0 | 113.5 | F13 Q17 L18 | F13-P15 CarbonylContact O-C 3.54Å; P15-Q17 PolarHBondContact O-N 3.39Å; P15-L18 HydrophobicContact CG-CD1 3.78Å; P15-L18 HydrophobicContact CG-CG 4.07Å; P15-L18 PolarHBondContact O-N 3.39Å |
| 16 | E | 61.1 | Low | 65.1 | Low | 131 Ų | 131 | 97.3 Ų | 97.3 | 61% | 0.612 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -9.8 | -175.7 | -72 | 172.1 | 172.2 | 0 | 0 | 113.8 | R12 F13 | R12-E16 IonicContact CZ-OE1 3.32Å; R12-E16 IonicContact NE-OE1 3.05Å; R12-E16 PolarHBondContact NE-OE1 2.57Å; R12-E16 IonicContact NH2-OE1 2.74Å; R12-E16 PolarHBondContact NH2-OE1 3.07Å; F13-E16 WeakPolarHBondContact O-CA 3.42Å; F13-E16 WeakPolarHBondContact O-CG 3.33Å; F13-E16 PolarHBondContact O-N 3.4Å |
| 17 | Q | 56.8 | Low | 65 | Low | 185 Ų | 185 | 96.1 Ų | 96.1 | 86% | 0.864 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -3.2 | -177.5 | -61.2 | -180 | -8.1 | 0 | 0 | 113.8 | P15 Y19 | P15-Q17 PolarHBondContact O-N 3.39Å; Q17-Y19 PolarHBondContact O-N 2.98Å |
| 18 | L | 63.1 | Low | 64.7 | Low | 28 Ų | 28 | 97.3 Ų | 97.3 | 15% | 0.147 | 46% | 0.463 | C | S | . | . | trans | -72.5 | 124.2 | 176.3 | -72.7 | 162.2 | 0 | 0 | 0 | 109.6 | P15 Y20 I34 P35 I46 | P15-L18 HydrophobicContact CG-CD1 3.78Å; P15-L18 HydrophobicContact CG-CG 4.07Å; P15-L18 PolarHBondContact O-N 3.39Å; L18-Y20 WeakPolarHBondContact O-CD1 3.38Å; L18-Y20 PolarHBondContact O-N 3.44Å; L18-I34 HydrophobicContact CB-CG2 3.99Å; L18-I34 HydrophobicContact CD1-CG2 3.77Å; L18-I34 HydrophobicContact CD2-CG2 4.11Å; L18-I34 HydrophobicContact CG-CG2 4.17Å; L18-P35 WeakPolarHBondContact CD2-O 3.5Å; L18-I46 HydrophobicContact CD1-CG1 4.44Å | ||
| 19 | Y | 64.9 | Low | 64.5 | Low | 205 Ų | 205 | 100.4 Ų | 100.4 | 80% | 0.804 | 47% | 0.472 | S | S | * | . | trans | -61.7 | 132 | 164.4 | -110.7 | -92.2 | 0 | 0 | 0 | 108.3 | Q17 P35 | Q17-Y19 PolarHBondContact O-N 2.98Å; Y19-P35 WeakPolarHBondContact O-CD 3.4Å | ||
| 20 | Y | 67.2 | Low | 64.5 | Low | 96 Ų | 96 | 100.5 Ų | 100.5 | 38% | 0.376 | 47% | 0.472 | S | S | . | . | trans | -140.2 | 147.6 | 174.2 | 63.6 | -90.9 | 0 | 0 | 0 | 111.2 | F13 L18 V22 Y33 | F13-Y20 HydrophobicContact CB-CD1 4.5Å; F13-Y20 AromaticContact CD2-CD1 3.48Å; F13-Y20 HydrophobicContact CD2-CD1 3.48Å; F13-Y20 VanDerWaalsContact CD2-CD1 3.48Å; F13-Y20 AromaticContact CD2-CD2 3.96Å; F13-Y20 HydrophobicContact CD2-CD2 3.96Å; F13-Y20 AromaticContact CD2-CE1 3.36Å; F13-Y20 HydrophobicContact CD2-CE1 3.36Å; F13-Y20 AromaticContact CD2-CE2 3.84Å; F13-Y20 HydrophobicContact CD2-CE2 3.84Å; F13-Y20 AromaticContact CD2-CG 3.79Å; F13-Y20 HydrophobicContact CD2-CG 3.79Å; F13-Y20 AromaticContact CD2-CZ 3.55Å; F13-Y20 AromaticContact CE2-CD1 3.92Å; F13-Y20 HydrophobicContact CE2-CD1 3.92Å; F13-Y20 AromaticContact CE2-CD2 3.49Å; F13-Y20 HydrophobicContact CE2-CD2 3.49Å; F13-Y20 VanDerWaalsContact CE2-CD2 3.49Å; F13-Y20 AromaticContact CE2-CE1 3.88Å; F13-Y20 HydrophobicContact CE2-CE1 3.88Å; F13-Y20 AromaticContact CE2-CE2 3.43Å; F13-Y20 HydrophobicContact CE2-CE2 3.43Å; F13-Y20 VanDerWaalsContact CE2-CE2 3.43Å; F13-Y20 AromaticContact CE2-CG 3.74Å; F13-Y20 HydrophobicContact CE2-CG 3.74Å; F13-Y20 AromaticContact CE2-CZ 3.63Å; F13-Y20 HydrophobicContact CG-CD1 4.07Å; F13-Y20 HydrophobicContact CG-CE1 4.26Å; F13-Y20 HydrophobicContact CG-CG 4.44Å; F13-Y20 HydrophobicContact CZ-CD2 4.16Å; F13-Y20 HydrophobicContact CZ-CE2 4.44Å; F13-Y20 HydrophobicContact CZ-CG 4.37Å; L18-Y20 WeakPolarHBondContact O-CD1 3.38Å; L18-Y20 PolarHBondContact O-N 3.44Å; Y20-V22 HydrophobicContact CD2-CG2 3.65Å; Y20-V22 HydrophobicContact CE2-CG2 3.71Å; Y20-Y33 VanDerWaalsContact CA-O 3.3Å; Y20-Y33 WeakPolarHBondContact CA-O 3.26Å | ||
| 21 | E | 66.5 | Low | 64.6 | Low | 104 Ų | 104 | 97.5 Ų | 97.5 | 49% | 0.486 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.3 | 168.2 | -71.4 | -177.3 | 166 | 0 | 0 | 109.1 | Y23 Y33 | E21-Y23 HydrophobicContact CB-CD2 4.32Å; E21-Y23 HydrophobicContact CB-CE2 3.65Å; E21-Y23 WeakPolarHBondContact OE2-CE2 2.95Å; E21-Y23 PolarHBondContact OE2-OH 3.31Å; E21-Y33 PolarHBondContact N-O 3.25Å; E21-Y33 PolarHBondContact O-N 3.22Å |
| 22 | V | 66.2 | Low | 64.9 | Low | 55 Ų | 55 | 98.8 Ų | 98.8 | 33% | 0.333 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.1 | 173.9 | -172.5 | 0 | 0 | 0 | 0 | 108 | Y20 E24 M30 F32 | Y20-V22 HydrophobicContact CD2-CG2 3.65Å; Y20-V22 HydrophobicContact CE2-CG2 3.71Å; V22-E24 HydrophobicContact CG1-CG 4.45Å; V22-M30 HydrophobicContact CG1-CG 4.12Å; V22-M30 HydrophobicContact CG1-SD 4.05Å; V22-F32 HydrophobicContact CB-CE1 4.41Å; V22-F32 HydrophobicContact CG1-CD1 4.44Å; V22-F32 HydrophobicContact CG1-CE1 3.93Å; V22-F32 HydrophobicContact CG2-CD1 3.96Å; V22-F32 HydrophobicContact CG2-CE1 3.8Å |
| 23 | Y | 64.5 | Low | 65.2 | Low | 131 Ų | 131 | 100.3 Ų | 100.3 | 51% | 0.514 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 106.8 | 172.4 | -66.8 | -93.6 | 0 | 0 | 0 | 108.8 | E21 F31 | E21-Y23 HydrophobicContact CB-CD2 4.32Å; E21-Y23 HydrophobicContact CB-CE2 3.65Å; E21-Y23 WeakPolarHBondContact OE2-CE2 2.95Å; E21-Y23 PolarHBondContact OE2-OH 3.31Å; Y23-F31 PolarHBondContact N-O 3.34Å; Y23-F31 VanDerWaalsContact N-O 3.16Å; Y23-F31 PolarHBondContact O-N 3.16Å |
| 24 | E | 62.4 | Low | 65.4 | Low | 142 Ų | 142 | 101.4 Ų | 101.4 | 66% | 0.664 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 118.4 | 168.3 | -80 | -173.5 | 160 | 0 | 0 | 109.3 | V22 M30 | V22-E24 HydrophobicContact CG1-CG 4.45Å; E24-M30 HydrophobicContact CG-CG 4.18Å |
| 25 | N | 61.8 | Low | 65.4 | Low | 90 Ų | 90 | 101.2 Ų | 101.2 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 156 | 164.8 | -178.6 | -1.9 | 0 | 0 | 0 | 108.3 | T27 N28 | N25-T27 PolarHBondContact ND2-OG1 3.05Å; N25-T27 PolarHBondContact O-N 3.38Å; N25-N28 PolarHBondContact O-N 3.43Å |
| 26 | N | 67.1 | Low | 65.6 | Low | 164 Ų | 164 | 101 Ų | 101 | 88% | 0.877 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 0.3 | 172.1 | -56.9 | -6.4 | 0 | 0 | 0 | 114.1 | ||
| 27 | T | 63.9 | Low | 65.5 | Low | 71 Ų | 71 | 100.2 Ų | 100.2 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 8.6 | -176.8 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | N25 L29 | N25-T27 PolarHBondContact ND2-OG1 3.05Å; N25-T27 PolarHBondContact O-N 3.38Å; T27-L29 PolarHBondContact O-N 3.15Å |
| 28 | N | 66.9 | Low | 65.5 | Low | 106 Ų | 106 | 96.7 Ų | 96.7 | 57% | 0.567 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 24.6 | -173.1 | -51.3 | -70.5 | 0 | 0 | 0 | 113.7 | N25 | N25-N28 PolarHBondContact O-N 3.43Š|
| 29 | L | 63.5 | Low | 65.2 | Low | 95 Ų | 95 | 99.5 Ų | 99.5 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.1 | 176.8 | -64.6 | 174 | 0 | 0 | 0 | 109.1 | T27 F31 | T27-L29 PolarHBondContact O-N 3.15Å; L29-F31 HydrophobicContact CB-CE2 3.89Å; L29-F31 HydrophobicContact CB-CZ 4.36Å; L29-F31 HydrophobicContact CD1-CZ 4.4Å |
| 30 | M | 70.4 | Confident | 65 | Low | 43 Ų | 43 | 96.4 Ų | 96.4 | 21% | 0.212 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.7 | 167.1 | -80.3 | -173.8 | -56.2 | 0 | 0 | 109.7 | M9 T11 V22 E24 F32 I50 | M9-M30 HydrophobicContact CE-CE 2.93Å; M9-M30 HydrophobicContact CE-CG 4.18Å; M9-M30 HydrophobicContact CE-SD 3.26Å; M9-M30 WeakPolarHBondContact CE-SD 3.35Å; T11-M30 HydrophobicContact CG2-CE 4.37Å; T11-M30 HydrophobicContact CG2-SD 4.05Å; V22-M30 HydrophobicContact CG1-CG 4.12Å; V22-M30 HydrophobicContact CG1-SD 4.05Å; E24-M30 HydrophobicContact CG-CG 4.18Å; M30-F32 HydrophobicContact CB-CE1 4.45Å; M30-F32 HydrophobicContact CB-CE2 4.02Å; M30-F32 HydrophobicContact CB-CZ 3.88Å; M30-F32 HydrophobicContact CE-CE2 4.04Å; M30-F32 HydrophobicContact CE-CZ 3.53Å; M30-F32 HydrophobicContact CG-CZ 4.36Å; M30-F32 HydrophobicContact SD-CE1 4.06Å; M30-F32 HydrophobicContact SD-CE2 4.48Å; M30-F32 HydrophobicContact SD-CZ 3.56Å; M30-F32 VanDerWaalsContact SD-CZ 3.56Å; M30-I50 HydrophobicContact CE-CD1 3.61Å; M30-I50 HydrophobicContact CE-CG1 4.05Å |
| 31 | F | 69.3 | Low | 65 | Low | 123 Ų | 123 | 97.9 Ų | 97.9 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.8 | 168.8 | -60.5 | -92.3 | 0 | 0 | 0 | 108.9 | Y23 L29 | Y23-F31 PolarHBondContact N-O 3.34Å; Y23-F31 VanDerWaalsContact N-O 3.16Å; Y23-F31 PolarHBondContact O-N 3.16Å; L29-F31 HydrophobicContact CB-CE2 3.89Å; L29-F31 HydrophobicContact CB-CZ 4.36Å; L29-F31 HydrophobicContact CD1-CZ 4.4Å |
| 32 | F | 69.9 | Low | 64.8 | Low | 57 Ų | 57 | 98.2 Ų | 98.2 | 25% | 0.25 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.3 | 178 | -58 | -69.6 | 0 | 0 | 0 | 109.4 | T11 F13 V22 M30 I34 I48 | T11-F32 HydrophobicContact CG2-CE1 3.89Å; T11-F32 HydrophobicContact CG2-CZ 3.79Å; F13-F32 AromaticContact CE1-CD1 3.96Å; F13-F32 HydrophobicContact CE1-CD1 3.96Å; F13-F32 HydrophobicContact CE1-CE1 4.29Å; F13-F32 HydrophobicContact CE1-CG 4.18Å; F13-F32 HydrophobicContact CE2-CD1 4.4Å; F13-F32 HydrophobicContact CE2-CE1 4.35Å; F13-F32 AromaticContact CZ-CD1 3.38Å; F13-F32 HydrophobicContact CZ-CD1 3.38Å; F13-F32 AromaticContact CZ-CE1 3.46Å; F13-F32 HydrophobicContact CZ-CE1 3.46Å; F13-F32 VanDerWaalsContact CZ-CE1 3.46Å; F13-F32 HydrophobicContact CZ-CG 4.06Å; F13-F32 HydrophobicContact CZ-CZ 4.17Å; V22-F32 HydrophobicContact CB-CE1 4.41Å; V22-F32 HydrophobicContact CG1-CD1 4.44Å; V22-F32 HydrophobicContact CG1-CE1 3.93Å; V22-F32 HydrophobicContact CG2-CD1 3.96Å; V22-F32 HydrophobicContact CG2-CE1 3.8Å; M30-F32 HydrophobicContact CB-CE1 4.45Å; M30-F32 HydrophobicContact CB-CE2 4.02Å; M30-F32 HydrophobicContact CB-CZ 3.88Å; M30-F32 HydrophobicContact CE-CE2 4.04Å; M30-F32 HydrophobicContact CE-CZ 3.53Å; M30-F32 HydrophobicContact CG-CZ 4.36Å; M30-F32 HydrophobicContact SD-CE1 4.06Å; M30-F32 HydrophobicContact SD-CE2 4.48Å; M30-F32 HydrophobicContact SD-CZ 3.56Å; M30-F32 VanDerWaalsContact SD-CZ 3.56Å; F32-I34 HydrophobicContact CB-CD1 4.15Å; F32-I34 HydrophobicContact CB-CG1 4.17Å; F32-I48 HydrophobicContact CD2-CD1 4.19Å; F32-I48 HydrophobicContact CE2-CG2 4.28Å; F32-I48 HydrophobicContact CZ-CG2 4.4Å |
| 33 | Y | 71.2 | Confident | 64.7 | Low | 159 Ų | 159 | 100.6 Ų | 100.6 | 62% | 0.624 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.4 | 165.3 | -174.3 | -99.1 | 0 | 0 | 0 | 108.7 | Y20 E21 P35 | Y20-Y33 VanDerWaalsContact CA-O 3.3Å; Y20-Y33 WeakPolarHBondContact CA-O 3.26Å; E21-Y33 PolarHBondContact N-O 3.25Å; E21-Y33 PolarHBondContact O-N 3.22Å; Y33-P35 HydrophobicContact CD1-CG 4.49Å; Y33-P35 HydrophobicContact CE1-CB 4.31Å; Y33-P35 HydrophobicContact CE1-CG 4.11Å |
| 34 | I | 69.7 | Low | 64.8 | Low | 29 Ų | 29 | 99.9 Ų | 99.9 | 15% | 0.149 | 52% | 0.521 | C | S | . | . | trans | -128.1 | 99.5 | -176 | -53.3 | 172.9 | 0 | 0 | 0 | 107.6 | F13 L18 F32 C36 I46 I48 | F13-I34 HydrophobicContact CD1-CD1 3.68Å; F13-I34 HydrophobicContact CE1-CD1 3.64Å; L18-I34 HydrophobicContact CB-CG2 3.99Å; L18-I34 HydrophobicContact CD1-CG2 3.77Å; L18-I34 HydrophobicContact CD2-CG2 4.11Å; L18-I34 HydrophobicContact CG-CG2 4.17Å; F32-I34 HydrophobicContact CB-CD1 4.15Å; F32-I34 HydrophobicContact CB-CG1 4.17Å; I34-C36 PolarHBondContact O-N 2.77Å; I34-C36 VanDerWaalsContact O-N 3.07Å; I34-I46 HydrophobicContact CD1-CG2 3.89Å; I34-I46 HydrophobicContact CG2-CD1 4.05Å; I34-I48 HydrophobicContact CD1-CD1 4.21Å | ||
| 35 | P | 64.4 | Low | 65.1 | Low | 63 Ų | 63 | 100.2 Ų | 100.2 | 41% | 0.409 | 53% | 0.526 | S | S | . | . | trans | -70.1 | 105.1 | 174 | 18.5 | -8.9 | 0 | 0 | 0 | 108.3 | L18 Y19 Y33 | L18-P35 WeakPolarHBondContact CD2-O 3.5Å; Y19-P35 WeakPolarHBondContact O-CD 3.4Å; Y33-P35 HydrophobicContact CD1-CG 4.49Å; Y33-P35 HydrophobicContact CE1-CB 4.31Å; Y33-P35 HydrophobicContact CE1-CG 4.11Å | ||
| 36 | C | 66.9 | Low | 65.5 | Low | 45 Ų | 45 | 98.5 Ų | 98.5 | 30% | 0.304 | 52% | 0.517 | S | S | . | . | trans | -96.7 | 135.9 | 176 | 48.1 | 0 | 0 | 0 | 0 | 110.4 | I34 L38 I43 I46 | I34-C36 PolarHBondContact O-N 2.77Å; I34-C36 VanDerWaalsContact O-N 3.07Å; C36-L38 PolarHBondContact O-N 3.35Å; C36-I43 HydrophobicContact CB-CG2 4.26Å; C36-I46 HydrophobicContact CB-CD1 4.07Å | ||
| 37 | T | 58.3 | Low | 65.8 | Low | 114 Ų | 114 | 95.6 Ų | 95.6 | 70% | 0.699 | 50% | 0.498 | S | S | * | . | trans | -76 | 112.7 | 171.1 | -29.7 | 0 | 0 | 0 | 0 | 107.8 | I39 | T37-I39 PolarHBondContact O-N 3.41Š| ||
| 38 | L | 57.3 | Low | 66.4 | Low | 110 Ų | 110 | 95.8 Ų | 95.8 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | trans | -68.9 | 114.7 | 173.3 | -73.9 | 165.1 | 0 | 0 | 0 | 109 | C36 I43 | C36-L38 PolarHBondContact O-N 3.35Å; L38-I43 HydrophobicContact CD2-CG1 3.56Å | ||
| 39 | I | 57.8 | Low | 66.8 | Low | 88 Ų | 88 | 93 Ų | 93 | 45% | 0.451 | 48% | 0.482 | S | S | . | . | B | Isolated β-bridge | trans | -101.6 | 119.5 | 171 | -58.3 | 178.9 | 0 | 0 | 0 | 107.3 | T37 T41 N42 E44 | T37-I39 PolarHBondContact O-N 3.41Å; I39-T41 VanDerWaalsContact C-N 3.29Å; I39-T41 PolarHBondContact O-N 2.84Å; I39-N42 PolarHBondContact N-O 2.74Å; I39-N42 PolarHBondContact O-N 2.86Å; I39-E44 HydrophobicContact CD1-CG 4.43Å |
| 40 | N | 59.5 | Low | 67.4 | Low | 140 Ų | 140 | 91.4 Ų | 91.4 | 75% | 0.749 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 47.6 | -176 | -67.4 | -17.7 | 0 | 0 | 0 | 113 | N42 | N40-N42 PolarHBondContact O-N 2.95Å; N40-N42 PolarHBondContact O-ND2 3.05Å |
| 41 | T | 67.5 | Low | 67.7 | Low | 127 Ų | 127 | 94 Ų | 94 | 78% | 0.779 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 4.8 | -179 | 61 | 0 | 0 | 0 | 0 | 116.2 | I39 | I39-T41 VanDerWaalsContact C-N 3.29Å; I39-T41 PolarHBondContact O-N 2.84Å |
| 42 | N | 61.9 | Low | 67.7 | Low | 111 Ų | 111 | 90.6 Ų | 90.6 | 59% | 0.594 | 48% | 0.477 | S | S | * | . | B | Isolated β-bridge | trans | -101.3 | 141.3 | 175.5 | -66.2 | -49.9 | 0 | 0 | 0 | 110.1 | I39 N40 | I39-N42 PolarHBondContact N-O 2.74Å; I39-N42 PolarHBondContact O-N 2.86Å; N40-N42 PolarHBondContact O-N 2.95Å; N40-N42 PolarHBondContact O-ND2 3.05Å |
| 43 | I | 64.8 | Low | 67.6 | Low | 105 Ų | 105 | 93.3 Ų | 93.3 | 54% | 0.538 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 120.8 | 167.1 | -61.8 | 172.1 | 0 | 0 | 0 | 105.7 | C36 L38 I46 | C36-I43 HydrophobicContact CB-CG2 4.26Å; L38-I43 HydrophobicContact CD2-CG1 3.56Å; I43-I46 HydrophobicContact CG2-CD1 3.92Å; I43-I46 HydrophobicContact CG2-CG1 4.19Å |
| 44 | E | 66 | Low | 67.4 | Low | 116 Ų | 116 | 94.4 Ų | 94.4 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 141.6 | 167.8 | -76 | -169.7 | 149 | 0 | 0 | 109.4 | I39 I46 | I39-E44 HydrophobicContact CD1-CG 4.43Å; E44-I46 WeakPolarHBondContact O-CG1 3.2Å; E44-I46 PolarHBondContact O-N 2.95Å |
| 45 | L | 68.1 | Low | 66.8 | Low | 148 Ų | 148 | 102 Ų | 102 | 78% | 0.775 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -47.9 | 116.7 | -176.6 | -174.8 | 80.5 | 0 | 0 | 0 | 110.8 | ||
| 46 | I | 71 | Confident | 67 | Low | 55 Ų | 55 | 104 Ų | 104 | 28% | 0.282 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -98.6 | 116 | 172.6 | -58.9 | 172.8 | 0 | 0 | 0 | 107.4 | L18 I34 C36 I43 E44 I48 | L18-I46 HydrophobicContact CD1-CG1 4.44Å; I34-I46 HydrophobicContact CD1-CG2 3.89Å; I34-I46 HydrophobicContact CG2-CD1 4.05Å; C36-I46 HydrophobicContact CB-CD1 4.07Å; I43-I46 HydrophobicContact CG2-CD1 3.92Å; I43-I46 HydrophobicContact CG2-CG1 4.19Å; E44-I46 WeakPolarHBondContact O-CG1 3.2Å; E44-I46 PolarHBondContact O-N 2.95Å; I46-I48 HydrophobicContact CG2-CG1 4.2Å |
| 47 | E | 74.3 | Confident | 67 | Low | 102 Ų | 102 | 107.1 Ų | 107.1 | 48% | 0.477 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.8 | 173.1 | -160.4 | 179.4 | 133.5 | 0 | 0 | 110.1 | F13 I14 | F13-E47 WeakPolarHBondContact CA-O 3.41Å; I14-E47 HydrophobicContact CB-CB 4.47Å; I14-E47 PolarHBondContact N-O 3.28Å; I14-E47 VanDerWaalsContact N-O 3.15Å; I14-E47 PolarHBondContact O-N 3.04Å |
| 48 | I | 75.1 | Confident | 67.5 | Low | 75 Ų | 75 | 106.7 Ų | 106.7 | 39% | 0.385 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.3 | 112.1 | 177.2 | -51.2 | -180 | 0 | 0 | 0 | 107.9 | F13 F32 I34 I46 I50 | F13-I48 HydrophobicContact CD1-CB 4.45Å; F13-I48 HydrophobicContact CD1-CG1 3.86Å; F13-I48 HydrophobicContact CD1-CG2 4.33Å; F13-I48 HydrophobicContact CE1-CB 4.18Å; F13-I48 HydrophobicContact CE1-CD1 3.94Å; F13-I48 HydrophobicContact CE1-CG1 3.68Å; F13-I48 HydrophobicContact CE1-CG2 3.68Å; F13-I48 HydrophobicContact CZ-CG2 4.13Å; F32-I48 HydrophobicContact CD2-CD1 4.19Å; F32-I48 HydrophobicContact CE2-CG2 4.28Å; F32-I48 HydrophobicContact CZ-CG2 4.4Å; I34-I48 HydrophobicContact CD1-CD1 4.21Å; I46-I48 HydrophobicContact CG2-CG1 4.2Å; I48-I50 HydrophobicContact CG2-CG1 4.46Å |
| 49 | T | 77 | Confident | 68.1 | Low | 48 Ų | 48 | 106.5 Ų | 106.5 | 29% | 0.294 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.7 | 173.1 | -42.2 | 0 | 0 | 0 | 0 | 109.8 | T11 R12 I51 | T11-T49 WeakPolarHBondContact CA-O 3.48Å; R12-T49 PolarHBondContact N-O 3.05Å; R12-T49 PolarHBondContact O-N 3.04Å; T49-I51 HydrophobicContact CG2-CD1 4.37Å; T49-I51 HydrophobicContact CG2-CG1 3.89Å |
| 50 | I | 74.8 | Confident | 68.7 | Low | 62 Ų | 62 | 107.7 Ų | 107.7 | 32% | 0.318 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 113.1 | 171.8 | -59.5 | 166.4 | 0 | 0 | 0 | 108 | Y5 M9 T11 M30 I48 | Y5-I50 HydrophobicContact CE2-CG2 4.18Å; M9-I50 HydrophobicContact CB-CG2 4.25Å; M9-I50 HydrophobicContact CE-CG2 3.8Å; M9-I50 HydrophobicContact SD-CG2 4.25Å; T11-I50 HydrophobicContact CG2-CG1 4.28Å; M30-I50 HydrophobicContact CE-CD1 3.61Å; M30-I50 HydrophobicContact CE-CG1 4.05Å; I48-I50 HydrophobicContact CG2-CG1 4.46Å |
| 51 | I | 76.1 | Confident | 69.3 | Low | 96 Ų | 96 | 105.5 Ų | 105.5 | 49% | 0.492 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 109.8 | 178.4 | -54.7 | 176.1 | 0 | 0 | 0 | 108.1 | R10 T49 | R10-I51 PolarHBondContact N-O 3.18Å; R10-I51 PolarHBondContact O-N 3Å; T49-I51 HydrophobicContact CG2-CD1 4.37Å; T49-I51 HydrophobicContact CG2-CG1 3.89Å |
| 52 | P | 69.7 | Low | 69.4 | Low | 52 Ų | 52 | 104 Ų | 104 | 34% | 0.338 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 139.6 | 171.1 | 14.8 | -22.4 | 0 | 0 | 0 | 111.7 | Y5 Q54 | Y5-P52 HydrophobicContact CD1-CB 3.51Å; Y5-P52 HydrophobicContact CD1-CG 4.03Å; Y5-P52 HydrophobicContact CE1-CB 3.83Å; Y5-P52 HydrophobicContact CE1-CG 3.82Å; Y5-P52 HydrophobicContact CG-CB 4.47Å; P52-Q54 PolarHBondContact O-N 3.17Å |
| 53 | K | 69 | Low | 70 | Confident | 115 Ų | 115 | 103.5 Ų | 103.5 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 128.6 | 165.1 | -75.8 | -178.8 | 178.1 | 173.8 | 0 | 108.4 | H7 G8 | H7-K53 HydrophobicContact CB-CB 3.97Å; H7-K53 WeakPolarHBondContact CB-O 3.3Å; H7-K53 WeakPolarHBondContact O-CB 3.4Å; H7-K53 WeakPolarHBondContact O-CD 3.5Å; G8-K53 PolarHBondContact O-N 3.07Å |
| 54 | Q | 65.9 | Low | 70.5 | Confident | 181 Ų | 181 | 103.3 Ų | 103.3 | 85% | 0.846 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -93.9 | 141.3 | 169.5 | -64.2 | -160.2 | -16 | 0 | 0 | 109.2 | P52 | P52-Q54 PolarHBondContact O-N 3.17Š|
| 55 | N | 58.6 | Low | 70.9 | Confident | 190 Ų | 190 | 102.2 Ų | 102.2 | 100% | 1.016 | 52% | 0.52 | S | S | * | . | trans | -74.5 | 0 | 172.4 | -106.5 | 12.3 | 0 | 0 | 0 | 111.2 | H7 | H7-N55 PolarHBondContact CE1-ND2 3.35Å; H7-N55 PolarHBondContact CE1-OD1 3.07Å; H7-N55 PolarHBondContact ND1-OD1 3.47Å; H7-N55 PolarHBondContact NE2-ND2 3.39Å |
Retrieved 55 of 55 residues in 39 ms
(Link to these results)